The crystal structure of ivermectin hemihydrate ethanolate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Ivermectin hemihydrate ethanolate crystallizes in space group C2 (#5) with a = 40.9374(10), b = 9.26951(6), c = 14.9488(2) Å, β = 73.047(1)°, V = 5426.12(8) Å3, and Z = 4. The structure consists of layers of ivermectin molecules parallel to the bc-plane. The water and ethanol molecules reside in small voids in the structure. The water molecule, the ethanol molecule, and hydroxyl groups act as donors in O–H⋯O hydrogen bonds. Several C–H⋯O hydrogen bonds were detected. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™.

中文翻译：

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伊维菌素半水合物乙醇化物的晶体结构，(C48H74O14)(H2O)0.5(C2H5OH)0.82

伊维菌素半水合物乙醇化物的晶体结构已使用同步加速器 X 射线粉末衍射数据进行求解和改进，并使用密度泛函技术进行了优化。伊维菌素半水合物乙醇化物在空间群中结晶C2(#5) 与一种= 40.9374(10),b= 9.26951(6),C= 14.9488(2) 埃，β= 73.047(1)°,五= 5426.12(8) Å3， 和Z= 4. 该结构由平行于公元前-飞机。水和乙醇分子存在于结构中的小空隙中。水分子、乙醇分子和羟基在 O-H⋯O 氢键中充当供体。检测到几个 C-H⋯O 氢键。粉末图案已提交给 ICDD 以纳入粉末衍射文件™。